[Wien] analyse_phonon_lapw

bhowmick ritabrata rito at rcais.res.in
Wed May 20 13:40:50 CEST 2009


Prof Blaha and Wien Users,
                          I redid init_phonon_lapw from .d45 file of kaolinite. The 1st position of case.structs are altered from .d45 file.But the remaining positions are same.I observed these changes upto case_6. But the subsequent cases are not altered.The same problem occurs for another mineral pyrophyllite.I am using WIEN 09 version.
                      
                  Please suggest any solution.

                                               Ritabrata 


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